C430-5439 Screening compound: ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5439 Screening compound: ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5439 Screening compound: ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5439
ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C430-5439

Molecular Formula

C27H35N3O5 (C27 H35 N3 O5)

Compound Name

ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-({cyclopentyl[(furan-2-yl)methyl]amino}methyl)-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC(C)C)N1)=C(CN(Cc2ccco2)C2CCCC2)NC1=O)=O

InChI

InChI=1S/C27H35N3O5/c1-4-33-26(31)24-23(17-30(20-8-5-6-9-20)16-22-10-7-15-34-22)28-27(32)29-25(24)19-11-13-21(14-12-19)35-18(2)3/h7,10-15,18,20,25H,4-6,8-9,16-17H2,1-3H3,(H2,28,29,32)/t25-/m1/s1

InChI Key

CHRLPANLJDNDDV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14757078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-3.94

Polar Surface Area

74.546

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

10.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C430-5439 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C430-5439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5439?
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What is the minimum amount of C430-5439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5439
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C430-5439 available by request